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N-Methyl-L-alanine

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Name

N-Methyl-L-alanine

EINECS 1533716-785-6
CAS No. 3913-67-5 Density 1.048 g/cm3
PSA 49.33000 LogP 0.06980
Solubility N/A Melting Point 315-317 °C (decomp)
Formula C4H9NO2 Boiling Point 190.1 °C at 760 mmHg
Molecular Weight 103.121 Flash Point 68.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3913-67-5 (N-Methyl-L-alanine) Hazard Symbols N/A
Synonyms

Alanine,N-methyl-, L- (7CI,8CI);(S)-N-Methylalanine;2-(Methylamino)propanoic acid;N-Methylalanine;a-(Methylamino)propionic acid;

Article Data 47

N-Methyl-L-alanine Synthetic route

(2R,2'R)-N-<2'-(methylamino)propionyl>bornane-10,2-sultam

A

3913-67-5

N-methylalanine

B

29475-64-7

N-methyl-D-alanine

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran at 0℃; Title compound not separated from byproducts;A n/a
B 94%

(2S,2'S)-N-<2'-(methylamino)propionyl>bornane-10,2-sultam

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran at 0℃;91%

(S)-2-(Benzhydryl-methyl-amino)-propionic acid benzhydryl ester

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol91%
50-00-0

formaldehyd

56-41-7

L-alanin

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With sodium dihydrogenphosphate; zinc at 30℃; for 0.25h;85%
130368-69-3

(2R)-2-(4-Toluenesulfonyloxy)propionic Acid

74-89-5

methylamine

3913-67-5

N-methylalanine

Conditions
ConditionsYield
In water at 15 - 30℃; Autoclave; Sealed tube;81.4%
10009-70-8

R-(+)-2-bromopropionic acid

74-89-5

methylamine

3913-67-5

N-methylalanine

Conditions
ConditionsYield
In water
With lead(II) hydroxide on calcium carbonate; water
16948-16-6

N-(tert-butoxycarbonyl)-N-methyl-L-alanine

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With trifluoroacetic acid
79821-69-5

Nα-4-toluenesulfonyl-Nα-methylalanine

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen bromide; acetic acid
60522-13-6

(S)-2-[Methyl-(toluene-4-sulfonyl)-amino]-propionic acid isopropyl ester

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen bromide; phenol
With hydrogen bromide; phenol In water for 0.5h; Heating;
63238-82-4

(-)-N-methyl-N-benzyl-(S)-Ala

3913-67-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In acetic acid

N-Methyl-L-alanine Specification

The IUPAC name of N-Methyl-L-alanine is (2S)-2-(methylamino)propanoic acid. With the CAS registry number 3913-67-5, it is also named as L-Alanine, N-methyl-. The product's categories are Amino Acid Derivatives; N-Methyl Amino Acids; N-Methyl Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, it should be sealed in dark, ventilated and dry place. This chemical is apharmaceutical intermediate and fine industrial chemical. In addition, its molecular formula is C4H9NO2 and molecular weight is 103.12.

The other characteristics of N-Methyl-L-alanine can be summarized as: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 25.69 cm3; (15)Molar Volume: 98.3 cm3; (16)Polarizability: 10.18×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 68.8 °C; (20)Enthalpy of Vaporization: 46.99 kJ/mol; (21)Boiling Point: 190.1 °C at 760 mmHg; (22)Vapour Pressure: 0.244 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC)C
(2)InChI: InChI=1/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
(3)InChIKey: GDFAOVXKHJXLEI-VKHMYHEABL
(4)Std. InChI: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
(5)Std. InChIKey: GDFAOVXKHJXLEI-VKHMYHEASA-N

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